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Home > Fluorides > 178979-27-6
178979-27-6 | 1H-Imidazole-2-methanol, 1-ethyl-5-[(3-fluorophenyl)thio]-4-(1-methylethyl)-
CAS No: 178979-27-6 Catalog No: AG0026JZ MDL No:
Product Description
Catalog Number:
AG0026JZ
Chemical Name:
1H-Imidazole-2-methanol, 1-ethyl-5-[(3-fluorophenyl)thio]-4-(1-methylethyl)-
CAS Number:
178979-27-6
Molecular Formula:
C15H19FN2OS
Molecular Weight:
294.3876
IUPAC Name:
[1-ethyl-5-(3-fluorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methanol
InChI:
InChI=1S/C15H19FN2OS/c1-4-18-13(9-19)17-14(10(2)3)15(18)20-12-7-5-6-11(16)8-12/h5-8,10,19H,4,9H2,1-3H3
InChI Key:
ZWMPOBFQHPTJHW-UHFFFAOYSA-N
SMILES:
OCc1nc(c(n1CC)Sc1cccc(c1)F)C(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.12g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.388g/mol
Monoisotopic Mass:
294.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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